(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one

C19H12BrNO2 — CID 71511447

IUPAC(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H12BrNO2/c20-13-5-3-4-12(10-13)18-9-8-14(23-18)11-16-15-6-1-2-7-17(15)21-19(16)22/h1-11H,(H,21,22)/b16-11-
InChIKeyVZLLXQMTLBDVKN-WJDWOHSUSA-N
MW366.21 g/mol
LogP5.20
Rot. Bonds2

About (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 71511447) has the molecular formula C19H12BrNO2 and a molecular weight of 366.21 g/mol. Its IUPAC name is (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID71511447
Molecular FormulaC19H12BrNO2
Molecular Weight366.21 g/mol
Exact Mass365.01
IUPAC Name(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H12BrNO2/c20-13-5-3-4-12(10-13)18-9-8-14(23-18)11-16-15-6-1-2-7-17(15)21-19(16)22/h1-11H,(H,21,22)/b16-11-
InChIKeyVZLLXQMTLBDVKN-WJDWOHSUSA-N
XLogP5.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.21
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one (CID 71511447) is (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(Br)c2)o1.
What is the InChIKey of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is VZLLXQMTLBDVKN-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H12BrNO2/c20-13-5-3-4-12(10-13)18-9-8-14(23-18)11-16-15-6-1-2-7-17(15)21-19(16)22/h1-11H,(H,21,22)/b16-11-.
What are the key properties of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 366.21 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71511447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).